tert-butyl 4-[2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2,5-dimethylphenyl)-1,3-dioxo-isoindoline-5-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-(2,5-dimethylphenyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[2-(2,5-dimethylphenyl)-1,3-diketo-isoindoline-5-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H29N3O5/c1-16-6-7-17(2)21(14-16)29-23(31)19-9-8-18(15-20(19)24(29)32)22(30)27-10-12-28(13-11-27)25(33)34-26(3,4)5/h6-9,14-15H,10-13H2,1-5H3